{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6178446 -5.5526457 2.9087647 ] [ -2.3387457 5.3660286 -0.8767764 ] [ -4.9295437 -1.9671057 -0.9845152 ] [ -0.0608584 -2.6279987 -6.1315956 ] [ 0.8449088 2.3749524 6.5890392 ] [ 1.4772916 -0.8932485 -0.4834861 ] [ 4.3891028 3.3000176 -1.0214306 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.898961734075277e-10 -8.89631912412565e-09 4.660354797748326e-09 ] [ -3.74708368253653e-09 8.597325569464155e-09 -1.404750649749189e-09 ] [ -7.89799966735193e-09 -3.151650763182419e-09 -1.577367236262236e-09 ] [ -9.750590565929473e-11 -4.210518076632794e-09 -9.823899118520149e-09 ] [ 1.353693126068183e-09 3.80509321079285e-09 1.055680455977474e-08 ] [ 2.366882063624225e-09 -1.431141863264669e-09 -7.746301259017709e-10 ] [ 7.032117892447818e-09 5.287211046948526e-09 -1.636512227089717e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.130771 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.263999093007864e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.7485021 2.3494102 4.2997376 ] [ 1.9228779 5.3312765 2.9744353 ] [ 0.6899248 3.9907591 1.4647639 ] [ 2.2774356 2.2961418 0.8196419 ] [ 2.1609984 4.0440336 4.9448606 ] [ 4.214617 2.8849168 2.0431366 ] [ 4.1002818 5.247065 2.0553141 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.7485021e-10 2.3494102e-10 4.299737600000001e-10 ] [ 1.9228779e-10 5.331276500000001e-10 2.9744353e-10 ] [ 6.899248000000001e-11 3.9907591e-10 1.4647639e-10 ] [ 2.2774356e-10 2.2961418e-10 8.196419000000001e-11 ] [ 2.1609984e-10 4.0440336e-10 4.9448606e-10 ] [ 4.214617e-10 2.8849168e-10 2.0431366e-10 ] [ 4.1002818e-10 5.247065000000001e-10 2.0553141e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.3e-05 -2e-07 -8.2e-06 ] [ -1.4e-05 3.06e-05 7.8e-06 ] [ -5.9e-06 2.3e-06 -1.9e-06 ] [ -2.1e-06 1.3e-05 1.39e-05 ] [ 2.2e-06 -9e-06 -3.06e-05 ] [ 2.33e-05 -1.56e-05 1.61e-05 ] [ -1.63e-05 -2.12e-05 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.08282960704e-14 -3.2043532416e-16 -1.313784829056e-14 ] [ -2.24304726912e-14 4.902660459647999e-14 1.249697764224e-14 ] [ -9.45284206272e-15 3.68500622784e-15 -3.04413557952e-15 ] [ -3.36457090368e-15 2.08282960704e-14 2.227025502912e-14 ] [ 3.52478856576e-15 -1.44195895872e-14 -4.902660459647999e-14 ] [ 3.733071526464e-14 -2.499395528448e-14 2.579504359488e-14 ] [ -2.611547891904e-14 -3.396614436096001e-14 4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }